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Compound Detail

CHEMBL238939

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Cn1ncc(NCCc2ccc3c(c2)OCO3)c1C(=O)Nc1cccc(C(F)(F)F)c1

Basic Information

ChEMBL ID CHEMBL238939
Phase Preclinical
Structure Type MOL
InChI Key BWGFZDUSGNRJEF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
4.07
ALogP
6
HBA
2
HBD
77.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19F3N4O3
MW 432.40
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.53

Activity Summary

IC50 1 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 1
CHEMBL1868
IC50 5.28 5.28 5290.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 1 IC50 = 5290.0 nM 5.28 Inhibition of VEGFR1 by HTRF assay 17188873

Literature References

PubMed DOI Target Context # Activities
17188873 10.1016/j.bmcl.2006.11.087 Vascular endothelial growth factor receptor 2 2
17188873 10.1016/j.bmcl.2006.11.087 Vascular endothelial growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine